Home Imidazoles 108035-47-8
108035-47-8,MFCD06659077
Catalog No.:AA003HWS
108035-47-8 | 3-(1H-Imidazol-1-yl)benzoic acid
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Purity
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1g
98%
in stock  
$72.00   $50.00
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5g
98%
in stock  
$358.00   $250.00
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10g
98%
in stock  
$580.00   $406.00
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25g
98%
in stock  
$1,120.00   $784.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003HWS
Chemical Name:
3-(1H-Imidazol-1-yl)benzoic acid
CAS Number:
108035-47-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06659077
IUPAC Name:
3-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,(H,13,14)
InChI Key:
WXHAKCASYYCJED-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cncc1
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-(1H-imidazol-1-yl)benzoic acid 
108035-47-8 
AC1MDTM6 
3-(1-Imidazolyl)benzoicAcid 
SCHEMBL939912 
3-imidazol-1-yl-benzoic acid 
CHEMBL496374 
3-(imidazol-1-yl)benzoic acid 
Jsp000701 
CTK4A5816 
KS-00000CCQ 
DTXSID00383764 
3-(1-Imidazolyl)benzoic Acid 
WXHAKCASYYCJED-UHFFFAOYSA-N 
ZINC4277343 
3-(1H-Imidazole-1-yl)benzoic acid 
MFCD06659077 
SBB052743 
3-(1H-imidazol-1-yl)-benzoic acid 
AKOS002391984 
ZINC 04277343 
AC-2829 
MCULE-5686993779 
3-imidazol-1-ylbenzoic Acid 
PS-6255 
RP03568 
TRA0080142 
AJ-50094 
AN-13567 
SY003060 
RT-008282 
4CH-004274 
FT-0687572 
ST50949571 
Benzoic acid, 3-(1H-imidazol-1-yl)- 
Y6988 
EN300-80525 
3-(1H-imidazol-1-yl)benzoic acid, AldrichCPR 
A24838 
K-0592 
MFCD06659077 (97+%) 
W-204652 
I14-17414 
Z1259341115 
C10H8N2O2 
Benzoic acid,3-(1H-imidazol-1-yl)- 
CI-583 
CID2795544 
3-imidazolylbenzoic acid 
3-(1H-imidazol-1-yl)benzoicacid 
PubChem19571 
ACMC-20dl8d 
Literature
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